Search MNXref
 Feedback

(2R,3S)-trans-coutaric acid

PropertiesImage
MNX_IDMNXM120600 Image of MNXM120600
referencechebi:76095
formulaC13H12O8
global charge0
mol weight296.231
InChIKeyINYJZRKTYXTZHP-MFFLNWJUSA-N
InChIInChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)O[C@H](C(=O)O)[C@@H](O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11+/m1/s1 Image of MNXM120600
SMILES (mnx)[CH:1]1=[CH:4][C:8]([OH:14])=[CH:5][CH:2]=[C:7]1/[CH:3]=[CH:6]/[C:9](=[O:15])[O:21][C@@H:11]([C@H:10]([C:12](=[O:17])[OH:18])[OH:16])[C:13](=[O:19])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76095
chebi:76095
INYJZRKTYXTZHP-MFFLNWJUSA-N 		(2R,3S)-trans-coutaric acid
(2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
trans-coutaric acid

seed.compound:cpd31935
seedM:cpd31935
INYJZRKTYXTZHP-MFFLNWJUSA-L 		(2R,3S)-trans-coutarate
2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
trans-coutarate
trans-coutaric acid
trans-p-coumaroyltartaric acid

metacyc.compound:CPD-16578
metacycM:CPD-16578
INYJZRKTYXTZHP-MFFLNWJUSA-L 		trans-coutarate
(2R,3S)-trans-coutarate
2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
trans-coutaric acid
trans-p-coumaroyltartaric acid

seedM:M_cpd31935 		secondary/obsolete/fantasy identifier